[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone

C18H23N5O — CID 110744372

IUPAC[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)nn1
InChIInChI=1S/C18H23N5O/c1-14-4-9-17(20-19-14)22-10-12-23(13-11-22)18(24)15-5-7-16(8-6-15)21(2)3/h4-9H,10-13H2,1-3H3
InChIKeyVDLDSAINHOUZOK-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.81
Rot. Bonds3

About [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 110744372) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID110744372
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)nn1
InChIInChI=1S/C18H23N5O/c1-14-4-9-17(20-19-14)22-10-12-23(13-11-22)18(24)15-5-7-16(8-6-15)21(2)3/h4-9H,10-13H2,1-3H3
InChIKeyVDLDSAINHOUZOK-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(dimethylamino)phenyl]-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336109
[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347137
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
[4-(dimethylamino)phenyl]-[9-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131663457
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058362
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
[4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122337494
[4-(dimethylamino)phenyl]-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333542
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122334084

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone (CID 110744372) is [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)nn1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is VDLDSAINHOUZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-4-9-17(20-19-14)22-10-12-23(13-11-22)18(24)15-5-7-16(8-6-15)21(2)3/h4-9H,10-13H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110744372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).